- InChI
- InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-2/h18-19H,3-17H2,1-2H3
- InChI Key
- LHCLDAKIWGPUMD-UHFFFAOYSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OC - Molecular Weight1
- 354.52
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -325.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 310.770 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [2504.00; 2504.00] |
|
|
| Inp | 2504.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Tboil | 847.34 | K | Joback Calculated Property |
| Tc | 1044.08 | K | Joback Calculated Property |
| Tfus | 473.89 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.95; 1126.84] | J/mol×K | [847.34; 1044.08] |
|
| Cp,gas | 1030.95 | J/mol×K | 847.34 | Joback Calculated Property |
| Cp,gas | 1050.31 | J/mol×K | 880.13 | Joback Calculated Property |
| Cp,gas | 1068.30 | J/mol×K | 912.92 | Joback Calculated Property |
| Cp,gas | 1084.92 | J/mol×K | 945.71 | Joback Calculated Property |
| Cp,gas | 1100.21 | J/mol×K | 978.50 | Joback Calculated Property |
| Cp,gas | 1114.17 | J/mol×K | 1011.29 | Joback Calculated Property |
| Cp,gas | 1126.84 | J/mol×K | 1044.08 | Joback Calculated Property |
| η | [0.0000615; 0.0009131] | Pa×s | [473.89; 847.34] |
|
| η | 0.0009131 | Pa×s | 473.89 | Joback Calculated Property |
| η | 0.0004486 | Pa×s | 536.13 | Joback Calculated Property |
| η | 0.0002555 | Pa×s | 598.37 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 660.62 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 722.86 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 785.10 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 847.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl methyl ester.
Sources
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